(3-chloranyl-4,5-dimethoxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-4,5-dimethoxy-phenyl)methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-4,5-dimethoxy-phenyl)methanone Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O3/c1-26-19-14-17(13-18(22)20(19)27-2)21(25)24-10-6-9-23(11-12-24)15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3